4-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide

C21H18N6O3S — CID 118947349

IUPAC4-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C21H18N6O3S/c1-14-18(15-6-3-2-4-7-15)25-26-19(14)20(28)24-16-8-10-17(11-9-16)31(29,30)27-21-22-12-5-13-23-21/h2-13H,1H3,(H,24,28)(H,25,26)(H,22,23,27)
InChIKeyUOQHIIGJLLGARV-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.23
Rot. Bonds6

About 4-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide

4-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 118947349) has the molecular formula C21H18N6O3S and a molecular weight of 434.48 g/mol. Its IUPAC name is 4-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID118947349
Molecular FormulaC21H18N6O3S
Molecular Weight434.48 g/mol
Exact Mass434.12
IUPAC Name4-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C21H18N6O3S/c1-14-18(15-6-3-2-4-7-15)25-26-19(14)20(28)24-16-8-10-17(11-9-16)31(29,30)27-21-22-12-5-13-23-21/h2-13H,1H3,(H,24,28)(H,25,26)(H,22,23,27)
InChIKeyUOQHIIGJLLGARV-UHFFFAOYSA-N
XLogP3.23
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide (CID 118947349) is 4-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide is Cc1c(-c2ccccc2)n[nH]c1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 4-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UOQHIIGJLLGARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3S/c1-14-18(15-6-3-2-4-7-15)25-26-19(14)20(28)24-16-8-10-17(11-9-16)31(29,30)27-21-22-12-5-13-23-21/h2-13H,1H3,(H,24,28)(H,25,26)(H,22,23,27).
What are the key properties of 4-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
4-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118947349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).